1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone

C6H6BrNO2 — CID 84671983

IUPAC1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1nc(Br)oc1C
InChIInChI=1S/C6H6BrNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3
InChIKeyQGGQZNDAFOZMDB-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.95
Rot. Bonds1

About 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone

1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone (PubChem CID 84671983) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone
PubChem CID84671983
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone
SMILESCC(=O)c1nc(Br)oc1C
InChIInChI=1S/C6H6BrNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3
InChIKeyQGGQZNDAFOZMDB-UHFFFAOYSA-N
XLogP1.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-one
CID 14738583
1-(5-Methyloxazol-4-yl)ethanone
CID 58221331
2-Trifluoromethyl-5-methyl-4-bromoacetyl-oxazole
CID 19974131
2-Trifluoromethyl-5-methyl-4-acetyl-oxazole
CID 19974323
2-Bromo-1-[2-(fluoromethyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 21667621
1-(2-Methyl-5-trifluoromethyl-oxazol-4-yl)-ethanone
CID 57497166
2-Bromo-4-ethyl-5-(trifluoromethyl)-1,3-oxazole
CID 105504698
2-Bromo-1-(2,5-dimethyloxazol-4-yl)ethanone
CID 14076232
2-Bromo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
CID 53827004
2-Diazo-1-(5-methyl-1,3-oxazol-4-yl)ethanone
CID 137167594
1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethanone;ethane
CID 143224836
Ethane;1-(2-ethyl-5-methyl-1,3-oxazol-4-yl)ethanone
CID 143224861

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone (CID 84671983) is 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone is CC(=O)c1nc(Br)oc1C.
What is the InChIKey of 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is QGGQZNDAFOZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c1-3(9)5-4(2)10-6(7)8-5/h1-2H3.
What are the key properties of 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone?
1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 204.02 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 84671983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).